CID 3037726

(+)-cis-3-imino-1-phenylhexahydro-3h-oxazolo(3,4-a)pyridine hydrochloride

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CCN2[C@H](C1)[C@@H](OC2=N)C3=CC=CC=C3
InChI
InChI=1S/C13H16N2O/c14-13-15-9-5-4-8-11(15)12(16-13)10-6-2-1-3-7-10/h1-3,6-7,11-12,14H,4-5,8-9H2/t11-,12+/m1/s1
InChIKey
QWWGGRPXPAXLID-NEPJUHHUSA-N
Compound name
(1S,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 147.4
[M+Na]+ 239.11549 153.1
[M-H]- 215.11899 153.5
[M+NH4]+ 234.16009 165.5
[M+K]+ 255.08943 150.3
[M+H-H2O]+ 199.12353 139.9
[M+HCOO]- 261.12447 166.2
[M+CH3COO]- 275.14012 159.3
[M+Na-2H]- 237.10094 152.1
[M]+ 216.12572 141.9
[M]- 216.12682 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe